Glycoside
GD006597
Name:
NoneFormula:
C35H57O13N5Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1NC(=O)[C@H]([C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)NC1=OAglycone:
CCCCCCCCCCCCCCCC(=O)OCC1NC(=O)C(CO)NC1=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.8 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 22 |
| MolWt: | 755.86 | Num_heavy_atoms: | 53 |
| TPSA: | 273.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD05447
Formula: C22H40O5N2
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1NC(=O)C(CO)NC1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 17 |
| MolWt: | 412.57 | Num_heavy_atoms: | 29 |
| TPSA: | 104.73 | NumAromaticRings: | 0 |
